SCHEMBL3594484

SCHEMBL3594484

CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 1.00
CASP1 P29466 2/20 1.00
CASP4 P49662 2/20 1.00
CASP7 P55210 2/20 1.00
CASP9 P55211 2/20 1.00
CASP6 P55212 2/20 1.00
NR1H2 P55055 1/20 0.65
NR1H3 Q13133 1/20 0.65
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CASP8 Q14790 1/20 0.56
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
LMNA P02545 1/20 0.50
TTR P02766 2/20 0.49
CES1 P23141 2/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30232255 1.00 CASP3 (1.00) CASP3CASP1CASP4CASP7CASP9
SCHEMBL26621563 0.87 CASP3 (0.77) CASP3CASP1CASP4CASP7CASP9
SCHEMBL31419431 0.84 CASP3 (0.72) CASP3CASP1CASP4CASP7CASP9
Isatin SCHEMBL2543770 0.83 CASP3 (0.70) CASP3CASP1CASP4CASP7CASP9
SCHEMBL7094984 0.81 CA1 (0.70) CASP3CASP1CASP4CASP7CASP9
SCHEMBL28585158 0.80 CASP1 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL3651922 0.80 CASP3 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL28031452 0.80 CASP3 (0.67) CASP3CASP1CASP4CASP7CASP9
SCHEMBL23250129 0.80 CASP3 (0.66) CASP3CASP1CASP4CASP7CASP9
SCHEMBL21774731 0.80 CASP1 (0.67) CASP3CASP1CASP4CASP7CASP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN claimed
CN-101503404-A Preparation of 3-substituted-3-hydroxy-indole-2-ketone bis-heterocyclic derivative UNIV EAST CHINA NORMAL (CN) 2009-08-12 CN claimed
WO-2000038636-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2025-05-27 US disclosed
US-20250074890-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-03-06 US disclosed
EP-4380919-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS Dana-Farber Cancer Institute, Inc. (US) 2024-06-12 EP disclosed
CN-117980290-A Cyanopyridine and cyanopyrimidine BCL6 degrading agents 达纳-法伯癌症研究所公司 2024-05-03 CN disclosed
EP-3728232-B1 NOVEL QUINOLONE COMPOUNDS AS INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND/OR AS BCL6 DEGRADERS ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-08-30 EP disclosed
EP-3728232-B1 NOVEL QUINOLONE COMPOUNDS AS INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND/OR AS BCL6 DEGRADERS ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-08-30 EP disclosed
CN-112538083-B Aromatic ring penta aromatic heterocyclic micromolecule organic compound targeting BCL6, derivative thereof and application thereof 华东师范大学 2023-04-28 CN disclosed
CN-113735871-B Preparation method and application of indole spiro dihydropyridine dicoumarol compound 江苏大学 2023-04-11 CN disclosed
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 US disclosed
WO-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed
WO-2000038636-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US disclosed
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 US disclosed
US-5164404-A HYDRAZONE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 1992-11-17 US disclosed
EP-0503349-A1 Hydrazone derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-09-16 EP disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use BCL6, BCL6B, BCL3 CASP3 932/4885CASP1 837/4885CASP4 939/4885
US-20250074890-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS BCL6, BCL6B, BCOR CASP3 834/4885CASP1 650/4885CASP4 521/4885
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 CASP3 986/4885CASP1 471/4885CASP4 1918/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.